2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C25H29FN6OSi — CID 162760785

About 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760785) has the molecular formula C25H29FN6OSi and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 162760785
• Molecular Formula: C25H29FN6OSi
• Molecular Weight: 476.63 g/mol
• Exact Mass: 476.22
• IUPAC Name: 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cc(-c2c(-c3ccc(F)cn3)nn3c2C[C@H]2C[C@H]23)c2cnn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C25H29FN6OSi/c1-15-9-18(19-13-28-31(25(19)29-15)14-33-7-8-34(2,3)4)23-22-11-16-10-21(16)32(22)30-24(23)20-6-5-17(26)12-27-20/h5-6,9,12-13,16,21H,7-8,10-11,14H2,1-4H3/t16-,21-/m1/s1
• InChIKey: NXCKPPRUKDCCRQ-IIBYNOLFSA-N
• XLogP: 5.23
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.63
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760785) is 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(-c2c(-c3ccc(F)cn3)nn3c2C[C@H]2C[C@H]23)c2cnn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NXCKPPRUKDCCRQ-IIBYNOLFSA-N. The full InChI is InChI=1S/C25H29FN6OSi/c1-15-9-18(19-13-28-31(25(19)29-15)14-33-7-8-34(2,3)4)23-22-11-16-10-21(16)32(22)30-24(23)20-6-5-17(26)12-27-20/h5-6,9,12-13,16,21H,7-8,10-11,14H2,1-4H3/t16-,21-/m1/s1.

What are the key properties of 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.63 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).